Information card for entry 7041085

Structure parameters

• Formula: C28 H39 F12 N6 O2 P3 Ru
• Calculated formula: C28 H39 F12 N6 O2 P3 Ru
• SMILES: [Ru]123456([P]78CN9CN(C7)CN(C8)C9)([n]7ccccc7C(=O)[N]1=c1cc[nH]cc1)[c]1(C)[cH]2[cH]3[c]4([cH]5[cH]61)C(C)C.CO.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Fine tuning through valence bond tautomerization of ancillary ligands in ruthenium(ii) arene complexes for better anticancer activity and enzyme inhibition properties.
• Authors of publication: Mandal, Poulami; Malviya, Novina; Guedes da Silva, M Fátima C; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Mobin, Shaikh M.; Mukhopadhyay, Suman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19277 - 19289
• a: 8.9084 ± 0.0002 Å
• b: 35.5854 ± 0.0008 Å
• c: 11.1155 ± 0.0003 Å
• α: 90°
• β: 96.018 ± 0.002°
• γ: 90°
• Cell volume: 3504.29 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No